N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide

C17H18N2O — CID 110439493

IUPACN-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
SMILESCc1ccnc(NC(=O)C2(c3ccccc3)CCC2)c1
InChIInChI=1S/C17H18N2O/c1-13-8-11-18-15(12-13)19-16(20)17(9-5-10-17)14-6-3-2-4-7-14/h2-4,6-8,11-12H,5,9-10H2,1H3,(H,18,19,20)
InChIKeyJKHQXVOOSAEFSN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.45
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide

N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 110439493) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
PubChem CID110439493
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
SMILESCc1ccnc(NC(=O)C2(c3ccccc3)CCC2)c1
InChIInChI=1S/C17H18N2O/c1-13-8-11-18-15(12-13)19-16(20)17(9-5-10-17)14-6-3-2-4-7-14/h2-4,6-8,11-12H,5,9-10H2,1H3,(H,18,19,20)
InChIKeyJKHQXVOOSAEFSN-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 52723771
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
CID 27456641
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 110439479
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001
1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 56523205
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80599079
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32618876
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
4-methyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 63121370
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide (CID 110439493) is N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide is Cc1ccnc(NC(=O)C2(c3ccccc3)CCC2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is JKHQXVOOSAEFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-8-11-18-15(12-13)19-16(20)17(9-5-10-17)14-6-3-2-4-7-14/h2-4,6-8,11-12H,5,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide?
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 110439493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).